N'-hydroxy-4,6-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-3-carboximidamide

C13H22N4OS — CID 112660075

IUPACN'-hydroxy-4,6-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-3-carboximidamide
SMILESCSCC(C)N(C)c1nc(C)cc(C)c1/C(N)=N/O
InChIInChI=1S/C13H22N4OS/c1-8-6-9(2)15-13(11(8)12(14)16-18)17(4)10(3)7-19-5/h6,10,18H,7H2,1-5H3,(H2,14,16)
InChIKeyKPWQHHACYBSRFQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.98
Rot. Bonds5

About N'-hydroxy-4,6-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-3-carboximidamide

N'-hydroxy-4,6-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-3-carboximidamide (PubChem CID 112660075) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N'-hydroxy-4,6-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4,6-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-3-carboximidamide
PubChem CID112660075
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN'-hydroxy-4,6-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-3-carboximidamide
SMILESCSCC(C)N(C)c1nc(C)cc(C)c1/C(N)=N/O
InChIInChI=1S/C13H22N4OS/c1-8-6-9(2)15-13(11(8)12(14)16-18)17(4)10(3)7-19-5/h6,10,18H,7H2,1-5H3,(H2,14,16)
InChIKeyKPWQHHACYBSRFQ-UHFFFAOYSA-N
XLogP1.98
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4,6-dimethyl-2-[methyl(pentan-3-yl)amino]pyridine-3-carboximidamide
CID 61176932
2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61175807
2-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 102993623
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carboximidamide
CID 82951763
2-[1-hydroxypropan-2-yl(methyl)amino]-4,6-dimethylpyridine-3-carbothioamide
CID 113426031
2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 76911921
2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 77022734
N'-hydroxy-4-methyl-2-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboximidamide
CID 112660044
N'-hydroxy-2-methyl-6-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboximidamide
CID 137013656
N'-hydroxy-4,6-dimethyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-3-carboximidamide
CID 61177125
2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 76950939
N,4,6-trimethyl-N-(1-methylsulfanylpropan-2-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 115987724

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4,6-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-4,6-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-3-carboximidamide (CID 112660075) is N'-hydroxy-4,6-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4,6-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4,6-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-3-carboximidamide is CSCC(C)N(C)c1nc(C)cc(C)c1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-4,6-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-3-carboximidamide?
The InChIKey is KPWQHHACYBSRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-8-6-9(2)15-13(11(8)12(14)16-18)17(4)10(3)7-19-5/h6,10,18H,7H2,1-5H3,(H2,14,16).
What are the key properties of N'-hydroxy-4,6-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-3-carboximidamide?
N'-hydroxy-4,6-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-3-carboximidamide has a molecular weight of 282.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4,6-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 112660075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).